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

C24H34O4 — CID 118680088

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 Name2-[4-[5-[4-(2-hydroxyethoxy)phenyl]-5-methylheptan-3-yl]phenoxy]ethanol
PubChem CID118680088
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name2-[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
XLogP4.68
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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).