3-chloro-2-[(4-ethoxyphenyl)methyl]phenol

C15H15ClO2 — CID 67382439

IUPAC3-chloro-2-[(4-ethoxyphenyl)methyl]phenol
SMILESCCOc1ccc(Cc2c(O)cccc2Cl)cc1
InChIInChI=1S/C15H15ClO2/c1-2-18-12-8-6-11(7-9-12)10-13-14(16)4-3-5-15(13)17/h3-9,17H,2,10H2,1H3
InChIKeyMEOWHQCPAYUQCC-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.04
Rot. Bonds4

About 3-chloro-2-[(4-ethoxyphenyl)methyl]phenol

3-chloro-2-[(4-ethoxyphenyl)methyl]phenol (PubChem CID 67382439) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-chloro-2-[(4-ethoxyphenyl)methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[(4-ethoxyphenyl)methyl]phenol
PubChem CID67382439
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Name3-chloro-2-[(4-ethoxyphenyl)methyl]phenol
SMILESCCOc1ccc(Cc2c(O)cccc2Cl)cc1
InChIInChI=1S/C15H15ClO2/c1-2-18-12-8-6-11(7-9-12)10-13-14(16)4-3-5-15(13)17/h3-9,17H,2,10H2,1H3
InChIKeyMEOWHQCPAYUQCC-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine
CID 145366496
[3-chloro-4-[(4-ethoxyphenyl)methyl]-5-hydroxyphenyl]methyl acetate
CID 68990563
1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane
CID 142233914
(2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol
CID 61100563
2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 61099366
1-(2,6-dichlorophenyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]methanamine
CID 19059891
1-ethoxy-4-[(4-propoxyphenyl)methyl]benzene
CID 21338136
(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone
CID 64712585
methyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate
CID 134964677
1-[2-chloro-6-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63816825
1-bromo-3-[(4-ethoxyphenyl)methyl]benzene
CID 46205787
[3-[(4-ethoxyphenyl)methyl]phenyl]methanamine
CID 116926187

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(4-ethoxyphenyl)methyl]phenol?
The IUPAC name of 3-chloro-2-[(4-ethoxyphenyl)methyl]phenol (CID 67382439) is 3-chloro-2-[(4-ethoxyphenyl)methyl]phenol.
What is the SMILES notation for 3-chloro-2-[(4-ethoxyphenyl)methyl]phenol?
The canonical SMILES for 3-chloro-2-[(4-ethoxyphenyl)methyl]phenol is CCOc1ccc(Cc2c(O)cccc2Cl)cc1.
What is the InChIKey of 3-chloro-2-[(4-ethoxyphenyl)methyl]phenol?
The InChIKey is MEOWHQCPAYUQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2/c1-2-18-12-8-6-11(7-9-12)10-13-14(16)4-3-5-15(13)17/h3-9,17H,2,10H2,1H3.
What are the key properties of 3-chloro-2-[(4-ethoxyphenyl)methyl]phenol?
3-chloro-2-[(4-ethoxyphenyl)methyl]phenol has a molecular weight of 262.74 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(4-ethoxyphenyl)methyl]phenol is sourced from PubChem (CID 67382439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).