ethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane

C30H34O2 — CID 158720104

IUPACethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane
SMILESCC.CCC.Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3C3C=CC=CC32)cc1
InChIInChI=1S/C25H20O2.C3H8.C2H6/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;1-3-2;1-2/h1-16,21,23,26-27H;3H2,1-2H3;1-2H3
InChIKeyIJUPRZNDOMTVLA-UHFFFAOYSA-N
MW426.60 g/mol
LogP7.71
Rot. Bonds2

About ethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane

ethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane (PubChem CID 158720104) has the molecular formula C30H34O2 and a molecular weight of 426.60 g/mol. Its IUPAC name is ethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane.

Molecular Properties

Compound Nameethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane
PubChem CID158720104
Molecular FormulaC30H34O2
Molecular Weight426.60 g/mol
Exact Mass426.26
IUPAC Nameethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane
SMILESCC.CCC.Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3C3C=CC=CC32)cc1
InChIInChI=1S/C25H20O2.C3H8.C2H6/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;1-3-2;1-2/h1-16,21,23,26-27H;3H2,1-2H3;1-2H3
InChIKeyIJUPRZNDOMTVLA-UHFFFAOYSA-N
XLogP7.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene
CID 163685028
(9aS)-10'-hydroxy-2',3',7'-trimethylspiro[4a,9a-dihydrofluorene-9,9'-thioxanthen-10-ium]
CID 142344509
2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane
CID 90252758
spiro[4a,9a-dihydrofluorene-9,1'-cyclohexane]
CID 145280766
spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene]
CID 135233943
9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol
CID 123666280
5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene
CID 143802774
4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline
CID 89177572
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[14-(4-methylphenyl)-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaenyl]phenyl]-4-phenylaniline
CID 146414892
N-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 144995204
10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine
CID 166958428
benzene;phenol;propane
CID 157176896

Frequently Asked Questions

What is the IUPAC name of ethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane?
The IUPAC name of ethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane (CID 158720104) is ethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane.
What is the SMILES notation for ethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane?
The canonical SMILES for ethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane is CC.CCC.Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3C3C=CC=CC32)cc1.
What is the InChIKey of ethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane?
The InChIKey is IJUPRZNDOMTVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O2.C3H8.C2H6/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;1-3-2;1-2/h1-16,21,23,26-27H;3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane?
ethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane has a molecular weight of 426.60 g/mol, XLogP of 7.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane is sourced from PubChem (CID 158720104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).