2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol

C18H26O2 — CID 104544388

IUPAC2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2ccc3c(c2)CCO3)C(O)C1
InChIInChI=1S/C18H26O2/c1-12-4-6-15(16(19)10-12)18(2,3)14-5-7-17-13(11-14)8-9-20-17/h5,7,11-12,15-16,19H,4,6,8-10H2,1-3H3
InChIKeyBHMNCBOVUBWONT-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.70
Rot. Bonds2

About 2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol

2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 104544388) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID104544388
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2ccc3c(c2)CCO3)C(O)C1
InChIInChI=1S/C18H26O2/c1-12-4-6-15(16(19)10-12)18(2,3)14-5-7-17-13(11-14)8-9-20-17/h5,7,11-12,15-16,19H,4,6,8-10H2,1-3H3
InChIKeyBHMNCBOVUBWONT-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol
CID 64750297
(1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 134769173
2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 114747022
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropane-1-thiol
CID 116866512
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine
CID 115714913
4-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2,3-dihydro-1-benzofuran;ethane
CID 158682254
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 86756445
5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 79837255
1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine
CID 104542207

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol (CID 104544388) is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol is CC1CCC(C(C)(C)c2ccc3c(c2)CCO3)C(O)C1.
What is the InChIKey of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is BHMNCBOVUBWONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-12-4-6-15(16(19)10-12)18(2,3)14-5-7-17-13(11-14)8-9-20-17/h5,7,11-12,15-16,19H,4,6,8-10H2,1-3H3.
What are the key properties of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol?
2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 274.40 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 104544388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).