[6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol

C17H17ClO3 — CID 126710140

IUPAC[6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol
SMILESCc1ccc(Oc2cc3c(cc2Cl)C(CO)CCO3)cc1
InChIInChI=1S/C17H17ClO3/c1-11-2-4-13(5-3-11)21-17-9-16-14(8-15(17)18)12(10-19)6-7-20-16/h2-5,8-9,12,19H,6-7,10H2,1H3
InChIKeyBYCLXGHQOVZCHD-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.30
Rot. Bonds3

About [6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol

[6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol (PubChem CID 126710140) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is [6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol.

Molecular Properties

Compound Name[6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol
PubChem CID126710140
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name[6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol
SMILESCc1ccc(Oc2cc3c(cc2Cl)C(CO)CCO3)cc1
InChIInChI=1S/C17H17ClO3/c1-11-2-4-13(5-3-11)21-17-9-16-14(8-15(17)18)12(10-19)6-7-20-16/h2-5,8-9,12,19H,6-7,10H2,1H3
InChIKeyBYCLXGHQOVZCHD-UHFFFAOYSA-N
XLogP4.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol?
The IUPAC name of [6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol (CID 126710140) is [6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol.
What is the SMILES notation for [6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol?
The canonical SMILES for [6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol is Cc1ccc(Oc2cc3c(cc2Cl)C(CO)CCO3)cc1.
What is the InChIKey of [6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol?
The InChIKey is BYCLXGHQOVZCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-11-2-4-13(5-3-11)21-17-9-16-14(8-15(17)18)12(10-19)6-7-20-16/h2-5,8-9,12,19H,6-7,10H2,1H3.
What are the key properties of [6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol?
[6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol has a molecular weight of 304.77 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol is sourced from PubChem (CID 126710140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).