1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol

C17H21ClO3 — CID 166540851

IUPAC1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol
SMILESCC(O)c1ccccc1Cl.COc1ccc(C(C)O)cc1
InChIInChI=1S/C9H12O2.C8H9ClO/c1-7(10)8-3-5-9(11-2)6-4-8;1-6(10)7-4-2-3-5-8(7)9/h3-7,10H,1-2H3;2-6,10H,1H3
InChIKeyMJEYBHBNYSGTOH-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.14
Rot. Bonds3

About 1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol

1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol (PubChem CID 166540851) has the molecular formula C17H21ClO3 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol
PubChem CID166540851
Molecular FormulaC17H21ClO3
Molecular Weight308.81 g/mol
Exact Mass308.12
IUPAC Name1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol
SMILESCC(O)c1ccccc1Cl.COc1ccc(C(C)O)cc1
InChIInChI=1S/C9H12O2.C8H9ClO/c1-7(10)8-3-5-9(11-2)6-4-8;1-6(10)7-4-2-3-5-8(7)9/h3-7,10H,1-2H3;2-6,10H,1H3
InChIKeyMJEYBHBNYSGTOH-UHFFFAOYSA-N
XLogP4.14
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 175713586
CID 175713586
(1S)-1-[4-(4-methoxyphenoxy)phenyl]ethanol
CID 63372514
1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol
CID 158169844
1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol
CID 60900920
(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methanol
CID 61081100
(1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 78952059
2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol
CID 117244582
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanol
CID 43503639
(4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol)
CID 177409236
1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol
CID 81355347
(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol
CID 78941782
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol (CID 166540851) is 1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol is CC(O)c1ccccc1Cl.COc1ccc(C(C)O)cc1.
What is the InChIKey of 1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol?
The InChIKey is MJEYBHBNYSGTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C8H9ClO/c1-7(10)8-3-5-9(11-2)6-4-8;1-6(10)7-4-2-3-5-8(7)9/h3-7,10H,1-2H3;2-6,10H,1H3.
What are the key properties of 1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol?
1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol has a molecular weight of 308.81 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 166540851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).