5-[2-(4-hydroxyphenyl)butan-2-yl]cyclohepta-1,3,6-trien-1-ol

C17H20O2 — CID 144769110

IUPAC5-[2-(4-hydroxyphenyl)butan-2-yl]cyclohepta-1,3,6-trien-1-ol
SMILESCCC(C)(c1ccc(O)cc1)C1C=CC=C(O)C=C1
InChIInChI=1S/C17H20O2/c1-3-17(2,14-8-11-16(19)12-9-14)13-5-4-6-15(18)10-7-13/h4-13,18-19H,3H2,1-2H3
InChIKeyAFHMESQGTVTPAS-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.24
Rot. Bonds3

About 5-[2-(4-hydroxyphenyl)butan-2-yl]cyclohepta-1,3,6-trien-1-ol

5-[2-(4-hydroxyphenyl)butan-2-yl]cyclohepta-1,3,6-trien-1-ol (PubChem CID 144769110) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[2-(4-hydroxyphenyl)butan-2-yl]cyclohepta-1,3,6-trien-1-ol.

Molecular Properties

Compound Name5-[2-(4-hydroxyphenyl)butan-2-yl]cyclohepta-1,3,6-trien-1-ol
PubChem CID144769110
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name5-[2-(4-hydroxyphenyl)butan-2-yl]cyclohepta-1,3,6-trien-1-ol
SMILESCCC(C)(c1ccc(O)cc1)C1C=CC=C(O)C=C1
InChIInChI=1S/C17H20O2/c1-3-17(2,14-8-11-16(19)12-9-14)13-5-4-6-15(18)10-7-13/h4-13,18-19H,3H2,1-2H3
InChIKeyAFHMESQGTVTPAS-UHFFFAOYSA-N
XLogP4.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130649235
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4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-[2-[4-[1-(4-hydroxycyclohexa-2,4-dien-1-yl)-1-(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
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CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 158726740
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
CID 20695639
4-(3-aminopentan-3-yl)phenol
CID 23621887
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CID 139838357
4-tert-butylphenol;cobalt
CID 174380967
4-tert-butylphenol;titanium
CID 20801499

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxyphenyl)butan-2-yl]cyclohepta-1,3,6-trien-1-ol?
The IUPAC name of 5-[2-(4-hydroxyphenyl)butan-2-yl]cyclohepta-1,3,6-trien-1-ol (CID 144769110) is 5-[2-(4-hydroxyphenyl)butan-2-yl]cyclohepta-1,3,6-trien-1-ol.
What is the SMILES notation for 5-[2-(4-hydroxyphenyl)butan-2-yl]cyclohepta-1,3,6-trien-1-ol?
The canonical SMILES for 5-[2-(4-hydroxyphenyl)butan-2-yl]cyclohepta-1,3,6-trien-1-ol is CCC(C)(c1ccc(O)cc1)C1C=CC=C(O)C=C1.
What is the InChIKey of 5-[2-(4-hydroxyphenyl)butan-2-yl]cyclohepta-1,3,6-trien-1-ol?
The InChIKey is AFHMESQGTVTPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-3-17(2,14-8-11-16(19)12-9-14)13-5-4-6-15(18)10-7-13/h4-13,18-19H,3H2,1-2H3.
What are the key properties of 5-[2-(4-hydroxyphenyl)butan-2-yl]cyclohepta-1,3,6-trien-1-ol?
5-[2-(4-hydroxyphenyl)butan-2-yl]cyclohepta-1,3,6-trien-1-ol has a molecular weight of 256.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxyphenyl)butan-2-yl]cyclohepta-1,3,6-trien-1-ol is sourced from PubChem (CID 144769110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).