(3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol

C14H18Cl2O3 — CID 116754164

IUPAC(3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol
SMILESCCOC1(C(O)c2ccc(Cl)c(Cl)c2)CCOCC1
InChIInChI=1S/C14H18Cl2O3/c1-2-19-14(5-7-18-8-6-14)13(17)10-3-4-11(15)12(16)9-10/h3-4,9,13,17H,2,5-8H2,1H3
InChIKeyPEFPEZBVGHNWTG-UHFFFAOYSA-N
MW305.20 g/mol
LogP3.61
Rot. Bonds4

About (3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol

(3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol (PubChem CID 116754164) has the molecular formula C14H18Cl2O3 and a molecular weight of 305.20 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol
PubChem CID116754164
Molecular FormulaC14H18Cl2O3
Molecular Weight305.20 g/mol
Exact Mass304.06
IUPAC Name(3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol
SMILESCCOC1(C(O)c2ccc(Cl)c(Cl)c2)CCOCC1
InChIInChI=1S/C14H18Cl2O3/c1-2-19-14(5-7-18-8-6-14)13(17)10-3-4-11(15)12(16)9-10/h3-4,9,13,17H,2,5-8H2,1H3
InChIKeyPEFPEZBVGHNWTG-UHFFFAOYSA-N
XLogP3.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754252
2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
CID 116765394
(4-cyclopropyloxyphenyl)-(4-ethoxyoxan-4-yl)methanol
CID 114519169
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 116754328
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol
CID 114645850
2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol
CID 116779682
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754296
1-(4-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765668
(1-ethoxycyclopentyl)-(4-methylphenyl)methanol
CID 116753072
2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764414
(2-amino-4-methyl-3-pyridinyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754132
(2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 105394608

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol?
The IUPAC name of (3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol (CID 116754164) is (3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol.
What is the SMILES notation for (3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol?
The canonical SMILES for (3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol is CCOC1(C(O)c2ccc(Cl)c(Cl)c2)CCOCC1.
What is the InChIKey of (3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol?
The InChIKey is PEFPEZBVGHNWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O3/c1-2-19-14(5-7-18-8-6-14)13(17)10-3-4-11(15)12(16)9-10/h3-4,9,13,17H,2,5-8H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol?
(3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol has a molecular weight of 305.20 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol is sourced from PubChem (CID 116754164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).