ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol

C18H24O2 — CID 144873732

IUPACethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol
SMILESCC.OCc1ccc(CCc2ccc(CO)cc2)cc1
InChIInChI=1S/C16H18O2.C2H6/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14;1-2/h3-10,17-18H,1-2,11-12H2;1-2H3
InChIKeyKTQVEPAHQADSMK-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.48
Rot. Bonds5

About ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol

ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol (PubChem CID 144873732) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol.

Molecular Properties

Compound Nameethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol
PubChem CID144873732
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Nameethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol
SMILESCC.OCc1ccc(CCc2ccc(CO)cc2)cc1
InChIInChI=1S/C16H18O2.C2H6/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14;1-2/h3-10,17-18H,1-2,11-12H2;1-2H3
InChIKeyKTQVEPAHQADSMK-UHFFFAOYSA-N
XLogP3.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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[4-(4-aminobutyl)phenyl]methanol
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3-[4-(hydroxymethyl)phenyl]propanenitrile
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(4-prop-1-enylphenyl)methanol
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[4-(2-pyridin-3-ylethyl)phenyl]methanol
CID 57319891
[4-[(4-ethylphenyl)methyl]phenyl]methanol
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(4-methoxyphenyl)methanol
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Frequently Asked Questions

What is the IUPAC name of ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol?
The IUPAC name of ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol (CID 144873732) is ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol.
What is the SMILES notation for ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol?
The canonical SMILES for ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol is CC.OCc1ccc(CCc2ccc(CO)cc2)cc1.
What is the InChIKey of ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol?
The InChIKey is KTQVEPAHQADSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2.C2H6/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14;1-2/h3-10,17-18H,1-2,11-12H2;1-2H3.
What are the key properties of ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol?
ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol has a molecular weight of 272.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol is sourced from PubChem (CID 144873732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).