(2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol

C17H18O3 — CID 18005860

IUPAC(2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol
SMILESOCC1(OCc2ccccc2)CCc2ccccc2O1
InChIInChI=1S/C17H18O3/c18-13-17(19-12-14-6-2-1-3-7-14)11-10-15-8-4-5-9-16(15)20-17/h1-9,18H,10-13H2
InChIKeySFAPPLVFSBNUAX-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.92
Rot. Bonds4

About (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol

(2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol (PubChem CID 18005860) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol.

Molecular Properties

Compound Name(2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol
PubChem CID18005860
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol
SMILESOCC1(OCc2ccccc2)CCc2ccccc2O1
InChIInChI=1S/C17H18O3/c18-13-17(19-12-14-6-2-1-3-7-14)11-10-15-8-4-5-9-16(15)20-17/h1-9,18H,10-13H2
InChIKeySFAPPLVFSBNUAX-UHFFFAOYSA-N
XLogP2.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroperoxy-2-prop-2-enyl-3,4-dihydrochromene
CID 11521300
3,4-dihydrochromene-2,2-dicarboxylic acid
CID 67576895
2-propoxy-3,4-dihydrochromene-2-carboxylic acid
CID 150273044
2-(chloromethyl)-3,4-dihydrochromen-2-ol
CID 10307936
5-amino-5-phenylmethoxyoxolan-2-one
CID 18469009
5-oxo-2-phenylmethoxyoxolane-2-carboxamide
CID 18468992
3-(2-hydroxy-3,4-dihydrochromen-2-yl)propanoic acid
CID 67346634
2-(3-phenylmethoxyoxetan-3-yl)ethanol
CID 130202999
2-methoxy-2-methyl-3,4-dihydrochromene
CID 15054836
(2S)-2-benzyl-2-methyl-3H-1-benzofuran
CID 134955555
2-(2-methyl-3,4-dihydrochromen-2-yl)phenol
CID 134834710
1-phenylmethoxycyclohex-2-ene-1-carboxylic acid
CID 150519089

Frequently Asked Questions

What is the IUPAC name of (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol?
The IUPAC name of (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol (CID 18005860) is (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol.
What is the SMILES notation for (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol?
The canonical SMILES for (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol is OCC1(OCc2ccccc2)CCc2ccccc2O1.
What is the InChIKey of (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol?
The InChIKey is SFAPPLVFSBNUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c18-13-17(19-12-14-6-2-1-3-7-14)11-10-15-8-4-5-9-16(15)20-17/h1-9,18H,10-13H2.
What are the key properties of (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol?
(2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol has a molecular weight of 270.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol is sourced from PubChem (CID 18005860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).