3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol

C23H18Cl2O — CID 176863835

IUPAC3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol
SMILESOc1cccc(C2=C(c3ccc(Cl)cc3Cl)CCCc3ccccc32)c1
InChIInChI=1S/C23H18Cl2O/c24-17-11-12-20(22(25)14-17)21-10-4-6-15-5-1-2-9-19(15)23(21)16-7-3-8-18(26)13-16/h1-3,5,7-9,11-14,26H,4,6,10H2
InChIKeyMBGZCYHFONBDNV-UHFFFAOYSA-N
MW381.30 g/mol
LogP6.99
Rot. Bonds2

About 3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol

3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol (PubChem CID 176863835) has the molecular formula C23H18Cl2O and a molecular weight of 381.30 g/mol. Its IUPAC name is 3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol.

Molecular Properties

Compound Name3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol
PubChem CID176863835
Molecular FormulaC23H18Cl2O
Molecular Weight381.30 g/mol
Exact Mass380.07
IUPAC Name3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol
SMILESOc1cccc(C2=C(c3ccc(Cl)cc3Cl)CCCc3ccccc32)c1
InChIInChI=1S/C23H18Cl2O/c24-17-11-12-20(22(25)14-17)21-10-4-6-15-5-1-2-9-19(15)23(21)16-7-3-8-18(26)13-16/h1-3,5,7-9,11-14,26H,4,6,10H2
InChIKeyMBGZCYHFONBDNV-UHFFFAOYSA-N
XLogP6.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.30
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]prop-2-enoic acid
CID 69320041
6-(2,4-dichlorophenyl)-5-[4-[[1-(3-fluoropropyl)pyrrolidin-3-ylidene]methyl]phenyl]-8,9-dihydro-7H-benzo[7]annulen-2-ol;hydrochloride
CID 169239714
6-(2,4-dimethylphenyl)-5-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
CID 176863851
6-[(dimethylamino)methyl]-5-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol;hydrochloride
CID 19360496
5-ethyl-6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol
CID 25264696
5-ethenyl-6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol
CID 25264158
2-fluoro-6-[5-(4-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-benzo[7]annulen-6-yl]phenol
CID 156716310
11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]
CID 134298783
methyl 6-(2,4-dichlorophenyl)-5-[3-[[1-(3-fluoropropyl)azetidin-3-yl]amino]phenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylate
CID 169239476
1-[6-(2-chloro-4-methylphenyl)-5-(4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]ethanone
CID 170293356
methyl 6-(2,4-dichlorophenyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylate
CID 176849474
3-(4-chlorophenyl)phenol
CID 3015395

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol?
The IUPAC name of 3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol (CID 176863835) is 3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol.
What is the SMILES notation for 3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol?
The canonical SMILES for 3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol is Oc1cccc(C2=C(c3ccc(Cl)cc3Cl)CCCc3ccccc32)c1.
What is the InChIKey of 3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol?
The InChIKey is MBGZCYHFONBDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2O/c24-17-11-12-20(22(25)14-17)21-10-4-6-15-5-1-2-9-19(15)23(21)16-7-3-8-18(26)13-16/h1-3,5,7-9,11-14,26H,4,6,10H2.
What are the key properties of 3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol?
3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol has a molecular weight of 381.30 g/mol, XLogP of 6.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol is sourced from PubChem (CID 176863835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).