2-chloro-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol

C15H17ClO2 — CID 28011

IUPAC2-chloro-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol
SMILESCC1(C)Oc2cc(O)c(Cl)cc2C2=C1CCCC2
InChIInChI=1S/C15H17ClO2/c1-15(2)11-6-4-3-5-9(11)10-7-12(16)13(17)8-14(10)18-15/h7-8,17H,3-6H2,1-2H3
InChIKeyHVPGANLUVNQMME-UHFFFAOYSA-N
MW264.75 g/mol
LogP4.54
Rot. Bonds

About 2-chloro-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol

2-chloro-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol (PubChem CID 28011) has the molecular formula C15H17ClO2 and a molecular weight of 264.75 g/mol. Its IUPAC name is 2-chloro-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol.

Molecular Properties

Compound Name2-chloro-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol
PubChem CID28011
Molecular FormulaC15H17ClO2
Molecular Weight264.75 g/mol
Exact Mass264.09
IUPAC Name2-chloro-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol
SMILESCC1(C)Oc2cc(O)c(Cl)cc2C2=C1CCCC2
InChIInChI=1S/C15H17ClO2/c1-15(2)11-6-4-3-5-9(11)10-7-12(16)13(17)8-14(10)18-15/h7-8,17H,3-6H2,1-2H3
InChIKeyHVPGANLUVNQMME-UHFFFAOYSA-N
XLogP4.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol?
The IUPAC name of 2-chloro-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol (CID 28011) is 2-chloro-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol.
What is the SMILES notation for 2-chloro-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol?
The canonical SMILES for 2-chloro-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol is CC1(C)Oc2cc(O)c(Cl)cc2C2=C1CCCC2.
What is the InChIKey of 2-chloro-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol?
The InChIKey is HVPGANLUVNQMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO2/c1-15(2)11-6-4-3-5-9(11)10-7-12(16)13(17)8-14(10)18-15/h7-8,17H,3-6H2,1-2H3.
What are the key properties of 2-chloro-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol?
2-chloro-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol has a molecular weight of 264.75 g/mol, XLogP of 4.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol is sourced from PubChem (CID 28011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).