1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyphenyl)ethanol

C14H18O3 — CID 102646408

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)C2=CCCCO2)cc1
InChIInChI=1S/C14H18O3/c1-14(15,13-5-3-4-10-17-13)11-6-8-12(16-2)9-7-11/h5-9,15H,3-4,10H2,1-2H3
InChIKeyBOCWXBFCSUTNFT-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.60
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyphenyl)ethanol

1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyphenyl)ethanol (PubChem CID 102646408) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyphenyl)ethanol
PubChem CID102646408
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)C2=CCCCO2)cc1
InChIInChI=1S/C14H18O3/c1-14(15,13-5-3-4-10-17-13)11-6-8-12(16-2)9-7-11/h5-9,15H,3-4,10H2,1-2H3
InChIKeyBOCWXBFCSUTNFT-UHFFFAOYSA-N
XLogP2.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-1-(4-methoxyphenyl)ethanol
CID 102650458
1-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol
CID 102650455
1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol
CID 170080996
N-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 171393515
1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol
CID 175567565
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
6-[(2S,5S)-5-(4-methoxyphenyl)-2,5-dihydrofuran-2-yl]-3,4-dihydro-2H-pyran
CID 11379890
1-(cyclopentylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 115002997
1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol
CID 60794949
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 106650901
1-(cyclopropylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 62773017
1-(4-methoxyphenyl)-1-(2-methylthiophen-3-yl)ethanol
CID 102829083

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyphenyl)ethanol (CID 102646408) is 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyphenyl)ethanol is COc1ccc(C(C)(O)C2=CCCCO2)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyphenyl)ethanol?
The InChIKey is BOCWXBFCSUTNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(15,13-5-3-4-10-17-13)11-6-8-12(16-2)9-7-11/h5-9,15H,3-4,10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyphenyl)ethanol?
1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyphenyl)ethanol has a molecular weight of 234.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 102646408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).