[7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol

C16H15ClO2 — CID 68964315

IUPAC[7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
SMILESCc1cc(Cl)ccc1-c1cccc2c1OC(CO)C2
InChIInChI=1S/C16H15ClO2/c1-10-7-12(17)5-6-14(10)15-4-2-3-11-8-13(9-18)19-16(11)15/h2-7,13,18H,8-9H2,1H3
InChIKeyDLZXVDVOTXOZJH-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.61
Rot. Bonds2

About [7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol

[7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol (PubChem CID 68964315) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is [7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
PubChem CID68964315
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name[7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
SMILESCc1cc(Cl)ccc1-c1cccc2c1OC(CO)C2
InChIInChI=1S/C16H15ClO2/c1-10-7-12(17)5-6-14(10)15-4-2-3-11-8-13(9-18)19-16(11)15/h2-7,13,18H,8-9H2,1H3
InChIKeyDLZXVDVOTXOZJH-UHFFFAOYSA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol?
The IUPAC name of [7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol (CID 68964315) is [7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol?
The canonical SMILES for [7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol is Cc1cc(Cl)ccc1-c1cccc2c1OC(CO)C2.
What is the InChIKey of [7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol?
The InChIKey is DLZXVDVOTXOZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-10-7-12(17)5-6-14(10)15-4-2-3-11-8-13(9-18)19-16(11)15/h2-7,13,18H,8-9H2,1H3.
What are the key properties of [7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol?
[7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol has a molecular weight of 274.75 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 68964315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).