(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol

Name: (1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₄O₂ — CID 82928224

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

IUPAC(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol

SMILESCc1ccc([C@H](C)O)c(OC2CCCCCC2)c1

InChIInChI=1S/C16H24O2/c1-12-9-10-15(13(2)17)16(11-12)18-14-7-5-3-4-6-8-14/h9-11,13-14,17H,3-8H2,1-2H3/t13-/m0/s1

InChIKeyIFOJCGJVTRPJDZ-ZDUSSCGKSA-N

MW248.37 g/mol

LogP4.15

Rot. Bonds3

About (1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol

(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol (PubChem CID 82928224) has the molecular formula C₁₆H₂₄O₂ and a molecular weight of 248.37 g/mol. Its IUPAC name is (1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol.

Molecular Properties

Compound Name	(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol
PubChem CID	82928224
Molecular Formula	C₁₆H₂₄O₂
Molecular Weight	248.37 g/mol
Exact Mass	248.18
IUPAC Name	(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol
SMILES	Cc1ccc([C@H](C)O)c(OC2CCCCCC2)c1
InChI	InChI=1S/C16H24O2/c1-12-9-10-15(13(2)17)16(11-12)18-14-7-5-3-4-6-8-14/h9-11,13-14,17H,3-8H2,1-2H3/t13-/m0/s1
InChIKey	IFOJCGJVTRPJDZ-ZDUSSCGKSA-N
XLogP	4.15
TPSA	29.46 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.37
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol?

The IUPAC name of (1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol (CID 82928224) is (1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol.

What is the SMILES notation for (1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol?

The canonical SMILES for (1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol is Cc1ccc([C@H](C)O)c(OC2CCCCCC2)c1.

What is the InChIKey of (1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol?

The InChIKey is IFOJCGJVTRPJDZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24O2/c1-12-9-10-15(13(2)17)16(11-12)18-14-7-5-3-4-6-8-14/h9-11,13-14,17H,3-8H2,1-2H3/t13-/m0/s1.

What are the key properties of (1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol?

(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol has a molecular weight of 248.37 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol is sourced from PubChem (CID 82928224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 82928224 — identifiers, structure, computed properties (public domain)

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