2-(2-hydroxyphenyl)-3,3-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol

C18H20O2 — CID 175120338

IUPAC2-(2-hydroxyphenyl)-3,3-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol
SMILESC=CCC1(CC=C)CC=CC(O)=C1c1ccccc1O
InChIInChI=1S/C18H20O2/c1-3-11-18(12-4-2)13-7-10-16(20)17(18)14-8-5-6-9-15(14)19/h3-10,19-20H,1-2,11-13H2
InChIKeyFHLGTHJMRHBHLE-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.76
Rot. Bonds5

About 2-(2-hydroxyphenyl)-3,3-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol

2-(2-hydroxyphenyl)-3,3-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol (PubChem CID 175120338) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-3,3-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-3,3-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol
PubChem CID175120338
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-(2-hydroxyphenyl)-3,3-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol
SMILESC=CCC1(CC=C)CC=CC(O)=C1c1ccccc1O
InChIInChI=1S/C18H20O2/c1-3-11-18(12-4-2)13-7-10-16(20)17(18)14-8-5-6-9-15(14)19/h3-10,19-20H,1-2,11-13H2
InChIKeyFHLGTHJMRHBHLE-UHFFFAOYSA-N
XLogP4.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[6,6-bis(prop-2-enyl)cyclohexa-1,3-dien-1-yl]-2,3-diphenylbenzene
CID 175015576
2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol
CID 142841188
3-methylidene-1-prop-2-enyl-2H-inden-1-ol
CID 86041926
2-(9-prop-2-enylfluoren-9-yl)ethanol
CID 11391058
2-(4,4-diaminocyclohexa-1,5-dien-1-yl)phenol
CID 174821956
(2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 100988945
2-[4-[4-(2-hydroxyphenyl)phenyl]phenyl]phenol
CID 122655811
2-(3-prop-2-enylphenyl)phenol
CID 174695353
2-(2-prop-2-enylphenyl)phenol;sulfuric acid
CID 67728772
1-chloro-9,9-bis(prop-2-enyl)fluorene
CID 174649432
6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene
CID 155763593
9,9,18,18,27,27-hexakis(prop-2-enyl)heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 11628484

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-3,3-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 2-(2-hydroxyphenyl)-3,3-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol (CID 175120338) is 2-(2-hydroxyphenyl)-3,3-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2-(2-hydroxyphenyl)-3,3-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2-(2-hydroxyphenyl)-3,3-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol is C=CCC1(CC=C)CC=CC(O)=C1c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-3,3-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol?
The InChIKey is FHLGTHJMRHBHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-11-18(12-4-2)13-7-10-16(20)17(18)14-8-5-6-9-15(14)19/h3-10,19-20H,1-2,11-13H2.
What are the key properties of 2-(2-hydroxyphenyl)-3,3-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol?
2-(2-hydroxyphenyl)-3,3-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol has a molecular weight of 268.36 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-3,3-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 175120338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).