4-[[4-[2-(dimethylamino)ethoxy]phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol;hydrochloride

C27H38ClNO2 — CID 69164111

IUPAC4-[[4-[2-(dimethylamino)ethoxy]phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol;hydrochloride
SMILESCN(C)CCOc1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(O)cc2)cc1.Cl
InChIInChI=1S/C27H37NO2.ClH/c1-26(2)17-22(18-27(3,4)19-26)25(20-7-11-23(29)12-8-20)21-9-13-24(14-10-21)30-16-15-28(5)6;/h7-14,29H,15-19H2,1-6H3;1H
InChIKeyYBMCCQKGZYLAQC-UHFFFAOYSA-N
MW444.06 g/mol
LogP6.79
Rot. Bonds6

About 4-[[4-[2-(dimethylamino)ethoxy]phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol;hydrochloride

4-[[4-[2-(dimethylamino)ethoxy]phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol;hydrochloride (PubChem CID 69164111) has the molecular formula C27H38ClNO2 and a molecular weight of 444.06 g/mol. Its IUPAC name is 4-[[4-[2-(dimethylamino)ethoxy]phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[[4-[2-(dimethylamino)ethoxy]phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol;hydrochloride
PubChem CID69164111
Molecular FormulaC27H38ClNO2
Molecular Weight444.06 g/mol
Exact Mass443.26
IUPAC Name4-[[4-[2-(dimethylamino)ethoxy]phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol;hydrochloride
SMILESCN(C)CCOc1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(O)cc2)cc1.Cl
InChIInChI=1S/C27H37NO2.ClH/c1-26(2)17-22(18-27(3,4)19-26)25(20-7-11-23(29)12-8-20)21-9-13-24(14-10-21)30-16-15-28(5)6;/h7-14,29H,15-19H2,1-6H3;1H
InChIKeyYBMCCQKGZYLAQC-UHFFFAOYSA-N
XLogP6.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.06
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[4-[2-(dimethylamino)ethoxy]phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol;hydrochloride with MolForge

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Related Compounds

4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol
CID 86155740
2-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenoxy]acetonitrile
CID 11485672
4-[4-[phenyl-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenoxy]butanoic acid
CID 11992669
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]but-1-enyl]phenol
CID 18988705
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
4-[(Z)-2-[4-[2-(dimethylamino)ethoxy]phenyl]pent-2-en-3-yl]phenol
CID 164901766
4-[4-[(E)-(4-hydroxyphenyl)-(3,3,5-trimethylcyclohexylidene)methyl]phenoxy]butanoic acid
CID 142996872
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)but-1-enyl]phenol
CID 15819111
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenyl)but-1-enyl]phenol
CID 70452979
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]phenol;hydrochloride
CID 67944530
4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride
CID 82240588
2-[4-[(E)-(3-amino-3,5,5-trimethylcyclohexylidene)-phenylmethyl]phenoxy]acetic acid
CID 163956263

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(dimethylamino)ethoxy]phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol;hydrochloride?
The IUPAC name of 4-[[4-[2-(dimethylamino)ethoxy]phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol;hydrochloride (CID 69164111) is 4-[[4-[2-(dimethylamino)ethoxy]phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol;hydrochloride.
What is the SMILES notation for 4-[[4-[2-(dimethylamino)ethoxy]phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol;hydrochloride?
The canonical SMILES for 4-[[4-[2-(dimethylamino)ethoxy]phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol;hydrochloride is CN(C)CCOc1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(O)cc2)cc1.Cl.
What is the InChIKey of 4-[[4-[2-(dimethylamino)ethoxy]phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol;hydrochloride?
The InChIKey is YBMCCQKGZYLAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO2.ClH/c1-26(2)17-22(18-27(3,4)19-26)25(20-7-11-23(29)12-8-20)21-9-13-24(14-10-21)30-16-15-28(5)6;/h7-14,29H,15-19H2,1-6H3;1H.
What are the key properties of 4-[[4-[2-(dimethylamino)ethoxy]phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol;hydrochloride?
4-[[4-[2-(dimethylamino)ethoxy]phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol;hydrochloride has a molecular weight of 444.06 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(dimethylamino)ethoxy]phenyl]-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol;hydrochloride is sourced from PubChem (CID 69164111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).