7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene

C17H17Cl — CID 102268560

IUPAC7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene
SMILESCC1Cc2ccc(Cl)cc2CCc2ccccc21
InChIInChI=1S/C17H17Cl/c1-12-10-14-8-9-16(18)11-15(14)7-6-13-4-2-3-5-17(12)13/h2-5,8-9,11-12H,6-7,10H2,1H3
InChIKeyODCAEKYBMIGIGP-UHFFFAOYSA-N
MW256.78 g/mol
LogP4.78
Rot. Bonds

About 7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene

7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene (PubChem CID 102268560) has the molecular formula C17H17Cl and a molecular weight of 256.78 g/mol. Its IUPAC name is 7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene.

Molecular Properties

Compound Name7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene
PubChem CID102268560
Molecular FormulaC17H17Cl
Molecular Weight256.78 g/mol
Exact Mass256.10
IUPAC Name7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene
SMILESCC1Cc2ccc(Cl)cc2CCc2ccccc21
InChIInChI=1S/C17H17Cl/c1-12-10-14-8-9-16(18)11-15(14)7-6-13-4-2-3-5-17(12)13/h2-5,8-9,11-12H,6-7,10H2,1H3
InChIKeyODCAEKYBMIGIGP-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene with MolForge

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Related Compounds

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CID 142258016
5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 59881663
5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine
CID 167560808
3,8,9-trichloro-7,12-dimethyl-5,6,11,12-tetrahydrobenzo[10]annulene
CID 123268998
8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene
CID 54053065
N-[[(2S)-5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]formamide
CID 129384381
5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane
CID 159657178
(5S)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 23652278
7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10465263
1-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,1-dimethylazetidin-1-ium-3-amine
CID 90475714
(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;ethane
CID 143007161
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 81337822

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene?
The IUPAC name of 7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene (CID 102268560) is 7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene.
What is the SMILES notation for 7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene?
The canonical SMILES for 7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene is CC1Cc2ccc(Cl)cc2CCc2ccccc21.
What is the InChIKey of 7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene?
The InChIKey is ODCAEKYBMIGIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl/c1-12-10-14-8-9-16(18)11-15(14)7-6-13-4-2-3-5-17(12)13/h2-5,8-9,11-12H,6-7,10H2,1H3.
What are the key properties of 7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene?
7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene has a molecular weight of 256.78 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene is sourced from PubChem (CID 102268560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).