(1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol

Name: (1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₉ClO₃ — CID 63364418

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol

SMILESCOc1ccc(C)cc1COc1ccc(Cl)cc1[C@H](C)O

InChIInChI=1S/C17H19ClO3/c1-11-4-6-16(20-3)13(8-11)10-21-17-7-5-14(18)9-15(17)12(2)19/h4-9,12,19H,10H2,1-3H3/t12-/m0/s1

InChIKeyBJHWCBWNOQVOQN-LBPRGKRZSA-N

MW306.79 g/mol

LogP4.29

Rot. Bonds5

About (1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol

(1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol (PubChem CID 63364418) has the molecular formula C₁₇H₁₉ClO₃ and a molecular weight of 306.79 g/mol. Its IUPAC name is (1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name	(1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol
PubChem CID	63364418
Molecular Formula	C₁₇H₁₉ClO₃
Molecular Weight	306.79 g/mol
Exact Mass	306.10
IUPAC Name	(1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol
SMILES	COc1ccc(C)cc1COc1ccc(Cl)cc1[C@H](C)O
InChI	InChI=1S/C17H19ClO3/c1-11-4-6-16(20-3)13(8-11)10-21-17-7-5-14(18)9-15(17)12(2)19/h4-9,12,19H,10H2,1-3H3/t12-/m0/s1
InChIKey	BJHWCBWNOQVOQN-LBPRGKRZSA-N
XLogP	4.29
TPSA	38.69 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.79
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol?

The IUPAC name of (1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol (CID 63364418) is (1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol.

What is the SMILES notation for (1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol?

The canonical SMILES for (1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol is COc1ccc(C)cc1COc1ccc(Cl)cc1[C@H](C)O.

What is the InChIKey of (1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol?

The InChIKey is BJHWCBWNOQVOQN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19ClO3/c1-11-4-6-16(20-3)13(8-11)10-21-17-7-5-14(18)9-15(17)12(2)19/h4-9,12,19H,10H2,1-3H3/t12-/m0/s1.

What are the key properties of (1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol?

(1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol has a molecular weight of 306.79 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 63364418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 63364418 — identifiers, structure, computed properties (public domain)

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