3-(3-hydroxyphenyl)bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;propan-1-ol

C15H16O3 — CID 21405734

IUPAC3-(3-hydroxyphenyl)bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;propan-1-ol
SMILESCCCO.Oc1cccc(-c2c3ccc-3c2O)c1
InChIInChI=1S/C12H8O2.C3H8O/c13-8-3-1-2-7(6-8)11-9-4-5-10(9)12(11)14;1-2-3-4/h1-6,13-14H;4H,2-3H2,1H3
InChIKeyCVEKITICDPKFOZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.13
Rot. Bonds2

About 3-(3-hydroxyphenyl)bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;propan-1-ol

3-(3-hydroxyphenyl)bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;propan-1-ol (PubChem CID 21405734) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;propan-1-ol.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;propan-1-ol
PubChem CID21405734
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name3-(3-hydroxyphenyl)bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;propan-1-ol
SMILESCCCO.Oc1cccc(-c2c3ccc-3c2O)c1
InChIInChI=1S/C12H8O2.C3H8O/c13-8-3-1-2-7(6-8)11-9-4-5-10(9)12(11)14;1-2-3-4/h1-6,13-14H;4H,2-3H2,1H3
InChIKeyCVEKITICDPKFOZ-UHFFFAOYSA-N
XLogP3.13
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-diethyl-3-(3-hydroxyphenyl)benzene-1,2-diol
CID 101303164
2,3,5-triethyl-6-(3-hydroxyphenyl)benzene-1,4-diol
CID 101303425
2,6-diethyl-3-(3-hydroxyphenyl)phenol
CID 101302678
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
3-(2,3,6-triethylphenyl)phenol
CID 101302512
4-(3-hydroxyphenyl)-2,6-dimethylbenzene-1,3-diol
CID 101299851
6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol
CID 101299842
3-(2,6-difluorophenyl)phenol
CID 53218544
3-[3-(2-hydroxyethyl)phenyl]phenol
CID 11413238
3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
CID 14911479
3-(2,2-dimethylpropyl)-4-phenylphenol
CID 91175347
3-(2,3-diethylphenyl)phenol
CID 101302379

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;propan-1-ol?
The IUPAC name of 3-(3-hydroxyphenyl)bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;propan-1-ol (CID 21405734) is 3-(3-hydroxyphenyl)bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;propan-1-ol.
What is the SMILES notation for 3-(3-hydroxyphenyl)bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;propan-1-ol?
The canonical SMILES for 3-(3-hydroxyphenyl)bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;propan-1-ol is CCCO.Oc1cccc(-c2c3ccc-3c2O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;propan-1-ol?
The InChIKey is CVEKITICDPKFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2.C3H8O/c13-8-3-1-2-7(6-8)11-9-4-5-10(9)12(11)14;1-2-3-4/h1-6,13-14H;4H,2-3H2,1H3.
What are the key properties of 3-(3-hydroxyphenyl)bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;propan-1-ol?
3-(3-hydroxyphenyl)bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;propan-1-ol has a molecular weight of 244.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;propan-1-ol is sourced from PubChem (CID 21405734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).