4-[9-(4-hydroxy-3-prop-2-enylcyclohexa-2,4-dien-1-yl)-3,4-dihydrofluoren-9-yl]-2-prop-2-enylphenol

C31H30O2 — CID 90350735

IUPAC4-[9-(4-hydroxy-3-prop-2-enylcyclohexa-2,4-dien-1-yl)-3,4-dihydrofluoren-9-yl]-2-prop-2-enylphenol
SMILESC=CCC1=CC(C2(c3ccc(O)c(CC=C)c3)C3=C(CCC=C3)c3ccccc32)CC=C1O
InChIInChI=1S/C31H30O2/c1-3-9-21-19-23(15-17-29(21)32)31(24-16-18-30(33)22(20-24)10-4-2)27-13-7-5-11-25(27)26-12-6-8-14-28(26)31/h3-5,7-8,11,13-15,17-20,24,32-33H,1-2,6,9-10,12,16H2
InChIKeyHBSRYBOPSNRVAW-UHFFFAOYSA-N
MW434.58 g/mol
LogP7.49
Rot. Bonds6

About 4-[9-(4-hydroxy-3-prop-2-enylcyclohexa-2,4-dien-1-yl)-3,4-dihydrofluoren-9-yl]-2-prop-2-enylphenol

4-[9-(4-hydroxy-3-prop-2-enylcyclohexa-2,4-dien-1-yl)-3,4-dihydrofluoren-9-yl]-2-prop-2-enylphenol (PubChem CID 90350735) has the molecular formula C31H30O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 4-[9-(4-hydroxy-3-prop-2-enylcyclohexa-2,4-dien-1-yl)-3,4-dihydrofluoren-9-yl]-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-[9-(4-hydroxy-3-prop-2-enylcyclohexa-2,4-dien-1-yl)-3,4-dihydrofluoren-9-yl]-2-prop-2-enylphenol
PubChem CID90350735
Molecular FormulaC31H30O2
Molecular Weight434.58 g/mol
Exact Mass434.22
IUPAC Name4-[9-(4-hydroxy-3-prop-2-enylcyclohexa-2,4-dien-1-yl)-3,4-dihydrofluoren-9-yl]-2-prop-2-enylphenol
SMILESC=CCC1=CC(C2(c3ccc(O)c(CC=C)c3)C3=C(CCC=C3)c3ccccc32)CC=C1O
InChIInChI=1S/C31H30O2/c1-3-9-21-19-23(15-17-29(21)32)31(24-16-18-30(33)22(20-24)10-4-2)27-13-7-5-11-25(27)26-12-6-8-14-28(26)31/h3-5,7-8,11,13-15,17-20,24,32-33H,1-2,6,9-10,12,16H2
InChIKeyHBSRYBOPSNRVAW-UHFFFAOYSA-N
XLogP7.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-hydroxy-3-prop-2-enylcyclohexa-2,4-dien-1-yl)-3,4-dihydrofluoren-9-yl]-2-prop-2-enylphenol?
The IUPAC name of 4-[9-(4-hydroxy-3-prop-2-enylcyclohexa-2,4-dien-1-yl)-3,4-dihydrofluoren-9-yl]-2-prop-2-enylphenol (CID 90350735) is 4-[9-(4-hydroxy-3-prop-2-enylcyclohexa-2,4-dien-1-yl)-3,4-dihydrofluoren-9-yl]-2-prop-2-enylphenol.
What is the SMILES notation for 4-[9-(4-hydroxy-3-prop-2-enylcyclohexa-2,4-dien-1-yl)-3,4-dihydrofluoren-9-yl]-2-prop-2-enylphenol?
The canonical SMILES for 4-[9-(4-hydroxy-3-prop-2-enylcyclohexa-2,4-dien-1-yl)-3,4-dihydrofluoren-9-yl]-2-prop-2-enylphenol is C=CCC1=CC(C2(c3ccc(O)c(CC=C)c3)C3=C(CCC=C3)c3ccccc32)CC=C1O.
What is the InChIKey of 4-[9-(4-hydroxy-3-prop-2-enylcyclohexa-2,4-dien-1-yl)-3,4-dihydrofluoren-9-yl]-2-prop-2-enylphenol?
The InChIKey is HBSRYBOPSNRVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O2/c1-3-9-21-19-23(15-17-29(21)32)31(24-16-18-30(33)22(20-24)10-4-2)27-13-7-5-11-25(27)26-12-6-8-14-28(26)31/h3-5,7-8,11,13-15,17-20,24,32-33H,1-2,6,9-10,12,16H2.
What are the key properties of 4-[9-(4-hydroxy-3-prop-2-enylcyclohexa-2,4-dien-1-yl)-3,4-dihydrofluoren-9-yl]-2-prop-2-enylphenol?
4-[9-(4-hydroxy-3-prop-2-enylcyclohexa-2,4-dien-1-yl)-3,4-dihydrofluoren-9-yl]-2-prop-2-enylphenol has a molecular weight of 434.58 g/mol, XLogP of 7.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-hydroxy-3-prop-2-enylcyclohexa-2,4-dien-1-yl)-3,4-dihydrofluoren-9-yl]-2-prop-2-enylphenol is sourced from PubChem (CID 90350735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).