(1S,12R)-4-chloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one

C15H13ClO2 — CID 16726787

IUPAC(1S,12R)-4-chloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one
SMILESO=C1C=C2c3ccc(O)c(Cl)c3C[C@@]23CC[C@@H]1C3
InChIInChI=1S/C15H13ClO2/c16-14-10-7-15-4-3-8(6-15)13(18)5-11(15)9(10)1-2-12(14)17/h1-2,5,8,17H,3-4,6-7H2/t8-,15+/m1/s1
InChIKeyFSXVHBSVVJDPBV-GLEZIHRCSA-N
MW260.72 g/mol
LogP3.35
Rot. Bonds

About (1S,12R)-4-chloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one

(1S,12R)-4-chloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one (PubChem CID 16726787) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is (1S,12R)-4-chloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one.

Molecular Properties

Compound Name(1S,12R)-4-chloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one
PubChem CID16726787
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name(1S,12R)-4-chloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one
SMILESO=C1C=C2c3ccc(O)c(Cl)c3C[C@@]23CC[C@@H]1C3
InChIInChI=1S/C15H13ClO2/c16-14-10-7-15-4-3-8(6-15)13(18)5-11(15)9(10)1-2-12(14)17/h1-2,5,8,17H,3-4,6-7H2/t8-,15+/m1/s1
InChIKeyFSXVHBSVVJDPBV-GLEZIHRCSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 13613335
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(1S,12R)-4,10-dichloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one
CID 11543891
9a-butyl-8-chloro-4-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one
CID 9923873
8-chloro-9a-ethyl-6-fluoro-7-hydroxy-4-methyl-2,9-dihydro-1H-fluoren-3-one
CID 9965937
9a-butyl-8-chloro-6-fluoro-7-hydroxy-4-methyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one
CID 9966971
9a-butyl-8-chloro-6-fluoro-7-hydroxy-4-(trifluoromethyl)-1,2,9,9a-tetrahydro-3H-fluoren-3-one
CID 9969805
9a-butyl-8-chloro-7-hydroxy-4-(trifluoromethyl)-1,2,9,9a-tetrahydro-3H-fluoren-3-one
CID 10269790
4-bromo-8-chloro-9a-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one
CID 10269850
4-bromo-8-chloro-9a-(cyclopentylmethyl)-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one
CID 10273183
4-bromo-9a-butyl-8-chloro-6-fluoro-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
CID 10293600
4-bromo-8-chloro-6-fluoro-7-hydroxy-9a-methyl-2,9-dihydro-1H-fluoren-3-one
CID 23545778

Frequently Asked Questions

What is the IUPAC name of (1S,12R)-4-chloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one?
The IUPAC name of (1S,12R)-4-chloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one (CID 16726787) is (1S,12R)-4-chloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one.
What is the SMILES notation for (1S,12R)-4-chloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one?
The canonical SMILES for (1S,12R)-4-chloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one is O=C1C=C2c3ccc(O)c(Cl)c3C[C@@]23CC[C@@H]1C3.
What is the InChIKey of (1S,12R)-4-chloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one?
The InChIKey is FSXVHBSVVJDPBV-GLEZIHRCSA-N. The full InChI is InChI=1S/C15H13ClO2/c16-14-10-7-15-4-3-8(6-15)13(18)5-11(15)9(10)1-2-12(14)17/h1-2,5,8,17H,3-4,6-7H2/t8-,15+/m1/s1.
What are the key properties of (1S,12R)-4-chloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one?
(1S,12R)-4-chloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one has a molecular weight of 260.72 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,12R)-4-chloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one is sourced from PubChem (CID 16726787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).