[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol

C16H16Cl2O3 — CID 66529304

IUPAC[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol
SMILESCCOc1cc(CO)c(Cl)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2O3/c1-2-20-15-7-12(9-19)14(18)8-16(15)21-10-11-3-5-13(17)6-4-11/h3-8,19H,2,9-10H2,1H3
InChIKeyLSTWZCHHYQSDOB-UHFFFAOYSA-N
MW327.21 g/mol
LogP4.46
Rot. Bonds6

About [2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol

[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol (PubChem CID 66529304) has the molecular formula C16H16Cl2O3 and a molecular weight of 327.21 g/mol. Its IUPAC name is [2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol
PubChem CID66529304
Molecular FormulaC16H16Cl2O3
Molecular Weight327.21 g/mol
Exact Mass326.05
IUPAC Name[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol
SMILESCCOc1cc(CO)c(Cl)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2O3/c1-2-20-15-7-12(9-19)14(18)8-16(15)21-10-11-3-5-13(17)6-4-11/h3-8,19H,2,9-10H2,1H3
InChIKeyLSTWZCHHYQSDOB-UHFFFAOYSA-N
XLogP4.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 66530676
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine
CID 66530757
2-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 66530738
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-piperidin-4-ylmethanamine
CID 66537524
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-ethoxypropan-1-amine
CID 66530663
N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 66531453
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 66537532
3-butoxy-N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-1-amine
CID 66530665
4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene
CID 43324667
(2,4-dichloro-5-phenylmethoxyphenyl)methanol
CID 57425039
3-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-4-methylbenzoic acid
CID 66542403
2-[2-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol
CID 66537571

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol?
The IUPAC name of [2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol (CID 66529304) is [2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol.
What is the SMILES notation for [2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol?
The canonical SMILES for [2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol is CCOc1cc(CO)c(Cl)cc1OCc1ccc(Cl)cc1.
What is the InChIKey of [2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol?
The InChIKey is LSTWZCHHYQSDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O3/c1-2-20-15-7-12(9-19)14(18)8-16(15)21-10-11-3-5-13(17)6-4-11/h3-8,19H,2,9-10H2,1H3.
What are the key properties of [2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol?
[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol has a molecular weight of 327.21 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol is sourced from PubChem (CID 66529304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).