3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol

C16H26O2 — CID 71150816

IUPAC3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol
SMILESCC(C)(C)c1cc(CCCO)cc(CCCO)c1
InChIInChI=1S/C16H26O2/c1-16(2,3)15-11-13(6-4-8-17)10-14(12-15)7-5-9-18/h10-12,17-18H,4-9H2,1-3H3
InChIKeyJGKSHQPAQBRFMW-UHFFFAOYSA-N
MW250.38 g/mol
LogP2.83
Rot. Bonds6

About 3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol

3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol (PubChem CID 71150816) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol
PubChem CID71150816
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol
SMILESCC(C)(C)c1cc(CCCO)cc(CCCO)c1
InChIInChI=1S/C16H26O2/c1-16(2,3)15-11-13(6-4-8-17)10-14(12-15)7-5-9-18/h10-12,17-18H,4-9H2,1-3H3
InChIKeyJGKSHQPAQBRFMW-UHFFFAOYSA-N
XLogP2.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dibutyl-3-tert-butylbenzene
CID 140589363
1-tert-butyl-3,5-bis(3-chloropropyl)benzene
CID 89314999
3-(11,17-ditert-butyl-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl)propan-1-ol
CID 156562997
3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol
CID 54337384
1,3-ditert-butyl-5-(3-phenylpropyl)benzene
CID 101326636
3-(3-ethyl-5-fluorophenyl)propan-1-ol
CID 117279245
3-(2-tert-butylpyrimidin-5-yl)propan-1-ol
CID 59233535
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol
CID 117117618
3-(4-amino-3,5-dimethylphenyl)propan-1-ol
CID 22472438
3-(5-tert-butyl-2-methoxy-3-methylphenyl)propan-1-ol
CID 21199608
4-(3-tert-butyl-5-methylphenyl)butanoic acid
CID 56976485
4-(3-tert-butyl-5-ethylphenyl)butanimidamide
CID 70646233

Frequently Asked Questions

What is the IUPAC name of 3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol?
The IUPAC name of 3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol (CID 71150816) is 3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol is CC(C)(C)c1cc(CCCO)cc(CCCO)c1.
What is the InChIKey of 3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol?
The InChIKey is JGKSHQPAQBRFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-16(2,3)15-11-13(6-4-8-17)10-14(12-15)7-5-9-18/h10-12,17-18H,4-9H2,1-3H3.
What are the key properties of 3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol?
3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol is sourced from PubChem (CID 71150816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).