8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol

C12H7ClO — CID 91434593

IUPAC8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol
SMILESOc1cc2cc(c1)c1cc2ccc1Cl
InChIInChI=1S/C12H7ClO/c13-12-2-1-7-6-11(12)9-3-8(7)4-10(14)5-9/h1-6,14H
InChIKeyUKEVXALFAISKHE-UHFFFAOYSA-N
MW202.64 g/mol
LogP3.79
Rot. Bonds

About 8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol

8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol (PubChem CID 91434593) has the molecular formula C12H7ClO and a molecular weight of 202.64 g/mol. Its IUPAC name is 8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol.

Molecular Properties

Compound Name8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol
PubChem CID91434593
Molecular FormulaC12H7ClO
Molecular Weight202.64 g/mol
Exact Mass202.02
IUPAC Name8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol
SMILESOc1cc2cc(c1)c1cc2ccc1Cl
InChIInChI=1S/C12H7ClO/c13-12-2-1-7-6-11(12)9-3-8(7)4-10(14)5-9/h1-6,14H
InChIKeyUKEVXALFAISKHE-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol with MolForge

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Related Compounds

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CID 87838951
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4-amino-5,6-dichloronaphthalen-2-ol
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5,7-dichloronaphthalen-2-ol
CID 90953148
1,2,5,6-tetrachloroanthracene
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14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol
CID 144582613
sodium;hydride;naphthalene-2,6-diol
CID 174639769
5-chloro-7-hydroxynaphthalene-2-carboxylic acid
CID 139998585
tridecacyclo[29.27.1.12,30.05,36.07,34.010,41.012,39.015,46.017,44.020,51.022,49.025,56.027,54]hexaconta-1(59),2(60),3,5,7(34),8,10,12(39),13,15(46),16,18,20,22(49),23,25(56),26,28,30,32,35,37,40,42,44,47,50,52,54,57-triacontaene
CID 101434081
7-[(3,4-dichlorophenyl)methoxy]naphthalen-2-ol
CID 43326484

Frequently Asked Questions

What is the IUPAC name of 8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol?
The IUPAC name of 8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol (CID 91434593) is 8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol.
What is the SMILES notation for 8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol?
The canonical SMILES for 8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol is Oc1cc2cc(c1)c1cc2ccc1Cl.
What is the InChIKey of 8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol?
The InChIKey is UKEVXALFAISKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClO/c13-12-2-1-7-6-11(12)9-3-8(7)4-10(14)5-9/h1-6,14H.
What are the key properties of 8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol?
8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol has a molecular weight of 202.64 g/mol, XLogP of 3.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol is sourced from PubChem (CID 91434593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).