(3R)-5-(3-methoxyphenyl)-1-trimethylsilylpent-1-yn-3-ol

C15H22O2Si — CID 102277509

IUPAC(3R)-5-(3-methoxyphenyl)-1-trimethylsilylpent-1-yn-3-ol
SMILESCOc1cccc(CC[C@@H](O)C#C[Si](C)(C)C)c1
InChIInChI=1S/C15H22O2Si/c1-17-15-7-5-6-13(12-15)8-9-14(16)10-11-18(2,3)4/h5-7,12,14,16H,8-9H2,1-4H3/t14-/m1/s1
InChIKeyMMDMSZWPVNSWCR-CQSZACIVSA-N
MW262.43 g/mol
LogP2.87
Rot. Bonds4

About (3R)-5-(3-methoxyphenyl)-1-trimethylsilylpent-1-yn-3-ol

(3R)-5-(3-methoxyphenyl)-1-trimethylsilylpent-1-yn-3-ol (PubChem CID 102277509) has the molecular formula C15H22O2Si and a molecular weight of 262.43 g/mol. Its IUPAC name is (3R)-5-(3-methoxyphenyl)-1-trimethylsilylpent-1-yn-3-ol.

Molecular Properties

Compound Name(3R)-5-(3-methoxyphenyl)-1-trimethylsilylpent-1-yn-3-ol
PubChem CID102277509
Molecular FormulaC15H22O2Si
Molecular Weight262.43 g/mol
Exact Mass262.14
IUPAC Name(3R)-5-(3-methoxyphenyl)-1-trimethylsilylpent-1-yn-3-ol
SMILESCOc1cccc(CC[C@@H](O)C#C[Si](C)(C)C)c1
InChIInChI=1S/C15H22O2Si/c1-17-15-7-5-6-13(12-15)8-9-14(16)10-11-18(2,3)4/h5-7,12,14,16H,8-9H2,1-4H3/t14-/m1/s1
InChIKeyMMDMSZWPVNSWCR-CQSZACIVSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 12648153
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4-(3-methoxyphenyl)-2-methylbutanal
CID 64664101
1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol
CID 101485664
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol
CID 57078353
1-methoxy-3-propylbenzene
CID 14270128
2-methoxy-4-(3-methoxyphenyl)butan-1-amine
CID 105463202
(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
CID 95561857
1-methoxy-3-nonadecylbenzene
CID 154507578
(3-methoxyphenyl)(113C)methanol
CID 11593446
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(3-methoxyphenyl)-1-trimethylsilylpent-1-yn-3-ol?
The IUPAC name of (3R)-5-(3-methoxyphenyl)-1-trimethylsilylpent-1-yn-3-ol (CID 102277509) is (3R)-5-(3-methoxyphenyl)-1-trimethylsilylpent-1-yn-3-ol.
What is the SMILES notation for (3R)-5-(3-methoxyphenyl)-1-trimethylsilylpent-1-yn-3-ol?
The canonical SMILES for (3R)-5-(3-methoxyphenyl)-1-trimethylsilylpent-1-yn-3-ol is COc1cccc(CC[C@@H](O)C#C[Si](C)(C)C)c1.
What is the InChIKey of (3R)-5-(3-methoxyphenyl)-1-trimethylsilylpent-1-yn-3-ol?
The InChIKey is MMDMSZWPVNSWCR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-17-15-7-5-6-13(12-15)8-9-14(16)10-11-18(2,3)4/h5-7,12,14,16H,8-9H2,1-4H3/t14-/m1/s1.
What are the key properties of (3R)-5-(3-methoxyphenyl)-1-trimethylsilylpent-1-yn-3-ol?
(3R)-5-(3-methoxyphenyl)-1-trimethylsilylpent-1-yn-3-ol has a molecular weight of 262.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(3-methoxyphenyl)-1-trimethylsilylpent-1-yn-3-ol is sourced from PubChem (CID 102277509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).