(2-propoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol

C18H22O2S — CID 115833031

IUPAC(2-propoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
SMILESCCCOc1ccccc1C(O)c1cc2c(s1)CCCC2
InChIInChI=1S/C18H22O2S/c1-2-11-20-15-9-5-4-8-14(15)18(19)17-12-13-7-3-6-10-16(13)21-17/h4-5,8-9,12,18-19H,2-3,6-7,10-11H2,1H3
InChIKeyQLRJXHZSPACGSD-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.50
Rot. Bonds5

About (2-propoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol

(2-propoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol (PubChem CID 115833031) has the molecular formula C18H22O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is (2-propoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(2-propoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
PubChem CID115833031
Molecular FormulaC18H22O2S
Molecular Weight302.44 g/mol
Exact Mass302.13
IUPAC Name(2-propoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
SMILESCCCOc1ccccc1C(O)c1cc2c(s1)CCCC2
InChIInChI=1S/C18H22O2S/c1-2-11-20-15-9-5-4-8-14(15)18(19)17-12-13-7-3-6-10-16(13)21-17/h4-5,8-9,12,18-19H,2-3,6-7,10-11H2,1H3
InChIKeyQLRJXHZSPACGSD-UHFFFAOYSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 15424085
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035240
(4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 63426749
(5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol
CID 104658893
1-(2-methoxyphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115793274
2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
CID 63016952
(2,5-difluorophenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 61099599
1-(2-propoxyphenyl)ethanol
CID 43503976
1-benzothiophen-3-yl-(2-propoxyphenyl)methanol
CID 104658650
(2,3-difluoro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 107516165
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081513
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-propan-2-ylphenyl)methanol
CID 61083152

Frequently Asked Questions

What is the IUPAC name of (2-propoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (2-propoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol (CID 115833031) is (2-propoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (2-propoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (2-propoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol is CCCOc1ccccc1C(O)c1cc2c(s1)CCCC2.
What is the InChIKey of (2-propoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The InChIKey is QLRJXHZSPACGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2S/c1-2-11-20-15-9-5-4-8-14(15)18(19)17-12-13-7-3-6-10-16(13)21-17/h4-5,8-9,12,18-19H,2-3,6-7,10-11H2,1H3.
What are the key properties of (2-propoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
(2-propoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol has a molecular weight of 302.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 115833031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).