3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol

C19H24O2 — CID 91082526

IUPAC3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol
SMILESOCCCc1ccc(Cc2ccc(CCCO)cc2)cc1
InChIInChI=1S/C19H24O2/c20-13-1-3-16-5-9-18(10-6-16)15-19-11-7-17(8-12-19)4-2-14-21/h5-12,20-21H,1-4,13-15H2
InChIKeyJCNBWEUNDKKBQR-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.13
Rot. Bonds8

About 3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol

3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol (PubChem CID 91082526) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol
PubChem CID91082526
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol
SMILESOCCCc1ccc(Cc2ccc(CCCO)cc2)cc1
InChIInChI=1S/C19H24O2/c20-13-1-3-16-5-9-18(10-6-16)15-19-11-7-17(8-12-19)4-2-14-21/h5-12,20-21H,1-4,13-15H2
InChIKeyJCNBWEUNDKKBQR-UHFFFAOYSA-N
XLogP3.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methylmethanamine;3-phenylpropan-1-ol
CID 174893841
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1-butyl-4-[(4-butylphenyl)methyl]benzene
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1,4-bis[(4-butylphenyl)methyl]benzene
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3-[1-[[4-[[4-(3-hydroxypropyl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]propan-1-ol
CID 24844758
4-[4-(methylamino)phenyl]butan-1-ol
CID 69404104
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
4-(4-propylphenyl)butan-1-ol
CID 10511962
4-(12-hydroxydodecyl)phenol
CID 139809285
3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol
CID 59557756

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol?
The IUPAC name of 3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol (CID 91082526) is 3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol?
The canonical SMILES for 3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol is OCCCc1ccc(Cc2ccc(CCCO)cc2)cc1.
What is the InChIKey of 3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol?
The InChIKey is JCNBWEUNDKKBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c20-13-1-3-16-5-9-18(10-6-16)15-19-11-7-17(8-12-19)4-2-14-21/h5-12,20-21H,1-4,13-15H2.
What are the key properties of 3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol?
3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol is sourced from PubChem (CID 91082526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).