[4-[4-(4,5-dimethylthiophen-2-yl)buta-1,3-dienyl]phenyl]methanol

C17H18OS — CID 72648019

IUPAC[4-[4-(4,5-dimethylthiophen-2-yl)buta-1,3-dienyl]phenyl]methanol
SMILESCc1cc(C=CC=Cc2ccc(CO)cc2)sc1C
InChIInChI=1S/C17H18OS/c1-13-11-17(19-14(13)2)6-4-3-5-15-7-9-16(12-18)10-8-15/h3-11,18H,12H2,1-2H3
InChIKeyXPDHFUXGQGJTCP-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.58
Rot. Bonds4

About [4-[4-(4,5-dimethylthiophen-2-yl)buta-1,3-dienyl]phenyl]methanol

[4-[4-(4,5-dimethylthiophen-2-yl)buta-1,3-dienyl]phenyl]methanol (PubChem CID 72648019) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is [4-[4-(4,5-dimethylthiophen-2-yl)buta-1,3-dienyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-(4,5-dimethylthiophen-2-yl)buta-1,3-dienyl]phenyl]methanol
PubChem CID72648019
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name[4-[4-(4,5-dimethylthiophen-2-yl)buta-1,3-dienyl]phenyl]methanol
SMILESCc1cc(C=CC=Cc2ccc(CO)cc2)sc1C
InChIInChI=1S/C17H18OS/c1-13-11-17(19-14(13)2)6-4-3-5-15-7-9-16(12-18)10-8-15/h3-11,18H,12H2,1-2H3
InChIKeyXPDHFUXGQGJTCP-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(4-prop-1-enylphenyl)methanol
CID 67711719
N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 107231462
(4-methylphenyl)methanol
CID 138734499
N-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]acetamide
CID 131998308
4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
CID 157111710
tert-butyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate
CID 101415549
3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enal
CID 169459014
methyl 3-[4-(hydroxymethyl)phenyl]prop-2-eneperoxoate
CID 89277530
4-[4-(hydroxymethyl)phenyl]but-3-enoic acid
CID 170483181
2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene
CID 23386693
(1E,3Z,5Z)-6-[4-(methoxymethyl)phenyl]hexa-1,3,5-trien-1-ol
CID 163226507
fluoro (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate
CID 174949751

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4,5-dimethylthiophen-2-yl)buta-1,3-dienyl]phenyl]methanol?
The IUPAC name of [4-[4-(4,5-dimethylthiophen-2-yl)buta-1,3-dienyl]phenyl]methanol (CID 72648019) is [4-[4-(4,5-dimethylthiophen-2-yl)buta-1,3-dienyl]phenyl]methanol.
What is the SMILES notation for [4-[4-(4,5-dimethylthiophen-2-yl)buta-1,3-dienyl]phenyl]methanol?
The canonical SMILES for [4-[4-(4,5-dimethylthiophen-2-yl)buta-1,3-dienyl]phenyl]methanol is Cc1cc(C=CC=Cc2ccc(CO)cc2)sc1C.
What is the InChIKey of [4-[4-(4,5-dimethylthiophen-2-yl)buta-1,3-dienyl]phenyl]methanol?
The InChIKey is XPDHFUXGQGJTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c1-13-11-17(19-14(13)2)6-4-3-5-15-7-9-16(12-18)10-8-15/h3-11,18H,12H2,1-2H3.
What are the key properties of [4-[4-(4,5-dimethylthiophen-2-yl)buta-1,3-dienyl]phenyl]methanol?
[4-[4-(4,5-dimethylthiophen-2-yl)buta-1,3-dienyl]phenyl]methanol has a molecular weight of 270.40 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4,5-dimethylthiophen-2-yl)buta-1,3-dienyl]phenyl]methanol is sourced from PubChem (CID 72648019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).