2-[4-[5-[4-(2-hydroxyethoxy)phenyl]-5-methylheptan-3-yl]phenoxy]ethanol

Name: 2-[4-[5-[4-(2-hydroxyethoxy)phenyl]-5-methylheptan-3-yl]phenoxy]ethanol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₃₄O₄ — CID 118680088

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

IUPAC2-[4-[5-[4-(2-hydroxyethoxy)phenyl]-5-methylheptan-3-yl]phenoxy]ethanol

SMILESCCC(CC(C)(CC)c1ccc(OCCO)cc1)c1ccc(OCCO)cc1

InChIInChI=1S/C24H34O4/c1-4-19(20-6-10-22(11-7-20)27-16-14-25)18-24(3,5-2)21-8-12-23(13-9-21)28-17-15-26/h6-13,19,25-26H,4-5,14-18H2,1-3H3

InChIKeyRYIFLVXCYZXGKE-UHFFFAOYSA-N

MW386.53 g/mol

LogP4.68

Rot. Bonds12

About 2-[4-[5-[4-(2-hydroxyethoxy)phenyl]-5-methylheptan-3-yl]phenoxy]ethanol

2-[4-[5-[4-(2-hydroxyethoxy)phenyl]-5-methylheptan-3-yl]phenoxy]ethanol (PubChem CID 118680088) has the molecular formula C₂₄H₃₄O₄ and a molecular weight of 386.53 g/mol. Its IUPAC name is 2-[4-[5-[4-(2-hydroxyethoxy)phenyl]-5-methylheptan-3-yl]phenoxy]ethanol.

Molecular Properties

Compound Name	2-[4-[5-[4-(2-hydroxyethoxy)phenyl]-5-methylheptan-3-yl]phenoxy]ethanol
PubChem CID	118680088
Molecular Formula	C₂₄H₃₄O₄
Molecular Weight	386.53 g/mol
Exact Mass	386.25
IUPAC Name	2-[4-[5-[4-(2-hydroxyethoxy)phenyl]-5-methylheptan-3-yl]phenoxy]ethanol
SMILES	CCC(CC(C)(CC)c1ccc(OCCO)cc1)c1ccc(OCCO)cc1
InChI	InChI=1S/C24H34O4/c1-4-19(20-6-10-22(11-7-20)27-16-14-25)18-24(3,5-2)21-8-12-23(13-9-21)28-17-15-26/h6-13,19,25-26H,4-5,14-18H2,1-3H3
InChIKey	RYIFLVXCYZXGKE-UHFFFAOYSA-N
XLogP	4.68
TPSA	58.92 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	12
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.53
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[4-(2-hydroxyethoxy)phenyl]-5-methylheptan-3-yl]phenoxy]ethanol?

The IUPAC name of 2-[4-[5-[4-(2-hydroxyethoxy)phenyl]-5-methylheptan-3-yl]phenoxy]ethanol (CID 118680088) is 2-[4-[5-[4-(2-hydroxyethoxy)phenyl]-5-methylheptan-3-yl]phenoxy]ethanol.

What is the SMILES notation for 2-[4-[5-[4-(2-hydroxyethoxy)phenyl]-5-methylheptan-3-yl]phenoxy]ethanol?

The canonical SMILES for 2-[4-[5-[4-(2-hydroxyethoxy)phenyl]-5-methylheptan-3-yl]phenoxy]ethanol is CCC(CC(C)(CC)c1ccc(OCCO)cc1)c1ccc(OCCO)cc1.

What is the InChIKey of 2-[4-[5-[4-(2-hydroxyethoxy)phenyl]-5-methylheptan-3-yl]phenoxy]ethanol?

The InChIKey is RYIFLVXCYZXGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4/c1-4-19(20-6-10-22(11-7-20)27-16-14-25)18-24(3,5-2)21-8-12-23(13-9-21)28-17-15-26/h6-13,19,25-26H,4-5,14-18H2,1-3H3.

What are the key properties of 2-[4-[5-[4-(2-hydroxyethoxy)phenyl]-5-methylheptan-3-yl]phenoxy]ethanol?

2-[4-[5-[4-(2-hydroxyethoxy)phenyl]-5-methylheptan-3-yl]phenoxy]ethanol has a molecular weight of 386.53 g/mol, XLogP of 4.68, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[4-(2-hydroxyethoxy)phenyl]-5-methylheptan-3-yl]phenoxy]ethanol is sourced from PubChem (CID 118680088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118680088 — identifiers, structure, computed properties (public domain)

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