(5-methyl-7-propan-2-yl-1-benzofuran-2-yl)methanol

C13H16O2 — CID 139376562

IUPAC(5-methyl-7-propan-2-yl-1-benzofuran-2-yl)methanol
SMILESCc1cc(C(C)C)c2oc(CO)cc2c1
InChIInChI=1S/C13H16O2/c1-8(2)12-5-9(3)4-10-6-11(7-14)15-13(10)12/h4-6,8,14H,7H2,1-3H3
InChIKeyMPRHYXXAZGMXMU-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.36
Rot. Bonds2

About (5-methyl-7-propan-2-yl-1-benzofuran-2-yl)methanol

(5-methyl-7-propan-2-yl-1-benzofuran-2-yl)methanol (PubChem CID 139376562) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (5-methyl-7-propan-2-yl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-methyl-7-propan-2-yl-1-benzofuran-2-yl)methanol
PubChem CID139376562
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(5-methyl-7-propan-2-yl-1-benzofuran-2-yl)methanol
SMILESCc1cc(C(C)C)c2oc(CO)cc2c1
InChIInChI=1S/C13H16O2/c1-8(2)12-5-9(3)4-10-6-11(7-14)15-13(10)12/h4-6,8,14H,7H2,1-3H3
InChIKeyMPRHYXXAZGMXMU-UHFFFAOYSA-N
XLogP3.36
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzofuran-5-Carboxylic Acid
CID 595656
3-Methyl-1-benzofuran-2-carboxylic acid
CID 600591
(R)-Bitalin A
CID 12414277
Eupomatenoid 6
CID 6261723
Eupomatenoid 5
CID 6443783
5-[(4-Sec-butylphenoxy)methyl]-2-furoic acid
CID 580500
2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol
CID 25131510
Homoegonol
CID 176929
4-hydroxy-3-methoxyphenyl-7-methoxy3-methyl-5-(E)-propenylbenzofuran
CID 10314175
4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
CID 14352596
1-Benzofuran-5-ylmethanol
CID 2795179
1-Benzofuran-2-Ylmethanol
CID 2776263

Frequently Asked Questions

What is the IUPAC name of (5-methyl-7-propan-2-yl-1-benzofuran-2-yl)methanol?
The IUPAC name of (5-methyl-7-propan-2-yl-1-benzofuran-2-yl)methanol (CID 139376562) is (5-methyl-7-propan-2-yl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (5-methyl-7-propan-2-yl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (5-methyl-7-propan-2-yl-1-benzofuran-2-yl)methanol is Cc1cc(C(C)C)c2oc(CO)cc2c1.
What is the InChIKey of (5-methyl-7-propan-2-yl-1-benzofuran-2-yl)methanol?
The InChIKey is MPRHYXXAZGMXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-8(2)12-5-9(3)4-10-6-11(7-14)15-13(10)12/h4-6,8,14H,7H2,1-3H3.
What are the key properties of (5-methyl-7-propan-2-yl-1-benzofuran-2-yl)methanol?
(5-methyl-7-propan-2-yl-1-benzofuran-2-yl)methanol has a molecular weight of 204.27 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-7-propan-2-yl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 139376562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).