(3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol

C17H26O4 — CID 116755791

IUPAC(3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol
SMILESCOc1ccc(C(O)C2(OC)CCCCCC2)cc1OC
InChIInChI=1S/C17H26O4/c1-19-14-9-8-13(12-15(14)20-2)16(18)17(21-3)10-6-4-5-7-11-17/h8-9,12,16,18H,4-7,10-11H2,1-3H3
InChIKeyITQVKKJQDPSTBM-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.48
Rot. Bonds5

About (3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol

(3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol (PubChem CID 116755791) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol
PubChem CID116755791
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name(3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol
SMILESCOc1ccc(C(O)C2(OC)CCCCCC2)cc1OC
InChIInChI=1S/C17H26O4/c1-19-14-9-8-13(12-15(14)20-2)16(18)17(21-3)10-6-4-5-7-11-17/h8-9,12,16,18H,4-7,10-11H2,1-3H3
InChIKeyITQVKKJQDPSTBM-UHFFFAOYSA-N
XLogP3.48
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753417
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267
(5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116756025
(3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol
CID 107128604
1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol
CID 103452210
(3-cyclobutylphenyl)-(1-methoxycyclohexyl)methanol
CID 114602493
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714856
(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol
CID 114521465
[1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol
CID 79066938
1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106826825
1-[(3,4-dimethoxyphenyl)-hydroxymethyl]-3-methylcyclopentane-1-carbonitrile
CID 79131019

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol?
The IUPAC name of (3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol (CID 116755791) is (3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol?
The canonical SMILES for (3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol is COc1ccc(C(O)C2(OC)CCCCCC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol?
The InChIKey is ITQVKKJQDPSTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-19-14-9-8-13(12-15(14)20-2)16(18)17(21-3)10-6-4-5-7-11-17/h8-9,12,16,18H,4-7,10-11H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol?
(3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol has a molecular weight of 294.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol is sourced from PubChem (CID 116755791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).